1-ethyl-4-(5-fluoro-7-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine

C15H22FNO — CID 143502855

IUPAC1-ethyl-4-(5-fluoro-7-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine
SMILESCCN1CCC(OC2=CCC=C(F)C=C2C)CC1
InChIInChI=1S/C15H22FNO/c1-3-17-9-7-14(8-10-17)18-15-6-4-5-13(16)11-12(15)2/h5-6,11,14H,3-4,7-10H2,1-2H3
InChIKeyBYIWXFFNZFYXHV-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.57
Rot. Bonds3

About 1-ethyl-4-(5-fluoro-7-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine

1-ethyl-4-(5-fluoro-7-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine (PubChem CID 143502855) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-ethyl-4-(5-fluoro-7-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine.

Molecular Properties

Compound Name1-ethyl-4-(5-fluoro-7-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine
PubChem CID143502855
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-ethyl-4-(5-fluoro-7-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine
SMILESCCN1CCC(OC2=CCC=C(F)C=C2C)CC1
InChIInChI=1S/C15H22FNO/c1-3-17-9-7-14(8-10-17)18-15-6-4-5-13(16)11-12(15)2/h5-6,11,14H,3-4,7-10H2,1-2H3
InChIKeyBYIWXFFNZFYXHV-UHFFFAOYSA-N
XLogP3.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine
CID 90703251
1-[(2-Fluoro-6-methoxycyclohexa-1,5-dien-1-yl)methyl]piperidine
CID 123168712
1-[(2E,4Z)-3-ethoxy-6-fluorohepta-2,4,6-trienyl]-3-methyl-4-[(E)-pent-2-en-2-yl]oxypiperidine
CID 134405162
4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine
CID 139437788
1-methyl-4-[(3Z)-5-(trifluoromethoxymethyl)hexa-1,3,5-trien-2-yl]oxypiperidine
CID 142009799
(4E,6Z)-N,N,4,5-tetramethyl-3-[4-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-yl]oxynona-4,6,8-trien-1-amine
CID 142961733
N-ethyl-3-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxy-N-methylpropan-1-amine
CID 143263466
4-(4-Fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine
CID 143392129
ethane;1-methyl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxypiperidine
CID 143394648
4-(6-Fluorocyclohexa-1,5-dien-1-yl)oxy-1-methylpiperidine
CID 144191902
3-(7-fluoro-5-methylcyclohepta-1,4,6-trien-1-yl)oxy-N,N-dimethylpropan-1-amine
CID 146247094
Ethane;1-methyl-4-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine
CID 168168416

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(5-fluoro-7-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine?
The IUPAC name of 1-ethyl-4-(5-fluoro-7-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine (CID 143502855) is 1-ethyl-4-(5-fluoro-7-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine.
What is the SMILES notation for 1-ethyl-4-(5-fluoro-7-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine?
The canonical SMILES for 1-ethyl-4-(5-fluoro-7-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine is CCN1CCC(OC2=CCC=C(F)C=C2C)CC1.
What is the InChIKey of 1-ethyl-4-(5-fluoro-7-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine?
The InChIKey is BYIWXFFNZFYXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-17-9-7-14(8-10-17)18-15-6-4-5-13(16)11-12(15)2/h5-6,11,14H,3-4,7-10H2,1-2H3.
What are the key properties of 1-ethyl-4-(5-fluoro-7-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine?
1-ethyl-4-(5-fluoro-7-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine has a molecular weight of 251.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(5-fluoro-7-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine is sourced from PubChem (CID 143502855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).